4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine

C15H23ClN4O2 — CID 133464624

IUPAC4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine
SMILESCNc1c(Cl)ncnc1N1CCC(OC2CCOCC2)CC1
InChIInChI=1S/C15H23ClN4O2/c1-17-13-14(16)18-10-19-15(13)20-6-2-11(3-7-20)22-12-4-8-21-9-5-12/h10-12,17H,2-9H2,1H3
InChIKeyXJSHTROAZLSMBX-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.34
Rot. Bonds4

About 4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine

4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine (PubChem CID 133464624) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine
PubChem CID133464624
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine
SMILESCNc1c(Cl)ncnc1N1CCC(OC2CCOCC2)CC1
InChIInChI=1S/C15H23ClN4O2/c1-17-13-14(16)18-10-19-15(13)20-6-2-11(3-7-20)22-12-4-8-21-9-5-12/h10-12,17H,2-9H2,1H3
InChIKeyXJSHTROAZLSMBX-UHFFFAOYSA-N
XLogP2.34
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-methyl-6-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]pyrimidin-5-amine
CID 133464294
4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine
CID 99609076
4-chloro-N-methyl-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-5-amine
CID 133464425
(1R,3S)-7-[6-chloro-5-(methylamino)pyrimidin-4-yl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 99638716
1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol
CID 133464451
2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691796
4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine
CID 63729272
6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 112726566
4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
CID 86665163
4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 63980185
4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103500926
4-chloro-6-(4-ethoxypiperidin-1-yl)-5-nitropyrimidine
CID 62100534

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine?
The IUPAC name of 4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine (CID 133464624) is 4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine is CNc1c(Cl)ncnc1N1CCC(OC2CCOCC2)CC1.
What is the InChIKey of 4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine?
The InChIKey is XJSHTROAZLSMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-17-13-14(16)18-10-19-15(13)20-6-2-11(3-7-20)22-12-4-8-21-9-5-12/h10-12,17H,2-9H2,1H3.
What are the key properties of 4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine?
4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine has a molecular weight of 326.83 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 133464624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).